BindingDB logo
myBDB logout

BDBM50411433 CHEMBL236006

SMILES: Clc1cccc(OC2CCNCC2)c1C(=O)NCC12CC3CC(CC(C3)C1)C2

InChI Key: InChIKey=LGGAFCMETNCFKJ-UHFFFAOYSA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411433   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2X purinoceptor 7


(Homo sapiens (Human))		BDBM50411433
PNG
(CHEMBL236006)
Show SMILES Clc1cccc(OC2CCNCC2)c1C(=O)NCC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.23.24,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24|
Show InChI InChI=1S/C23H31ClN2O2/c24-19-2-1-3-20(28-18-4-6-25-7-5-18)21(19)22(27)26-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-3,15-18,25H,4-14H2,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>1.00E+4n/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


Assay Description
Antagonist activity at human P2X7 receptor transfected in THP1 cells assessed as inhibition of benzoyl-ATP-induced changes in plasma membrane pore fo...

J Med Chem 50: 5882-5 (2007)


Article DOI: 10.1021/jm700949w
BindingDB Entry DOI: 10.7270/Q2HQ3ZM9
More data for this
Ligand-Target Pair